2-(2-ethoxyethyl)-5-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-3H-isoindol-1-one

C26H32N4O3 — CID 154994948

IUPAC2-(2-ethoxyethyl)-5-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-3H-isoindol-1-one
SMILESCCOCCN1Cc2cc(N3CCCc4cc(C(=O)N5CCCCC5)cnc43)ccc2C1=O
InChIInChI=1S/C26H32N4O3/c1-2-33-14-13-29-18-21-16-22(8-9-23(21)26(29)32)30-12-6-7-19-15-20(17-27-24(19)30)25(31)28-10-4-3-5-11-28/h8-9,15-17H,2-7,10-14,18H2,1H3
InChIKeyMASZLKUAHHEKNB-UHFFFAOYSA-N
MW448.57 g/mol
LogP3.78
Rot. Bonds6

About 2-(2-ethoxyethyl)-5-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-3H-isoindol-1-one

2-(2-ethoxyethyl)-5-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-3H-isoindol-1-one (PubChem CID 154994948) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is 2-(2-ethoxyethyl)-5-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-3H-isoindol-1-one.

Molecular Properties

Compound Name2-(2-ethoxyethyl)-5-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-3H-isoindol-1-one
PubChem CID154994948
Molecular FormulaC26H32N4O3
Molecular Weight448.57 g/mol
Exact Mass448.25
IUPAC Name2-(2-ethoxyethyl)-5-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-3H-isoindol-1-one
SMILESCCOCCN1Cc2cc(N3CCCc4cc(C(=O)N5CCCCC5)cnc43)ccc2C1=O
InChIInChI=1S/C26H32N4O3/c1-2-33-14-13-29-18-21-16-22(8-9-23(21)26(29)32)30-12-6-7-19-15-20(17-27-24(19)30)25(31)28-10-4-3-5-11-28/h8-9,15-17H,2-7,10-14,18H2,1H3
InChIKeyMASZLKUAHHEKNB-UHFFFAOYSA-N
XLogP3.78
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethyl)-5-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-3H-isoindol-1-one?
The IUPAC name of 2-(2-ethoxyethyl)-5-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-3H-isoindol-1-one (CID 154994948) is 2-(2-ethoxyethyl)-5-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-3H-isoindol-1-one.
What is the SMILES notation for 2-(2-ethoxyethyl)-5-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-3H-isoindol-1-one?
The canonical SMILES for 2-(2-ethoxyethyl)-5-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-3H-isoindol-1-one is CCOCCN1Cc2cc(N3CCCc4cc(C(=O)N5CCCCC5)cnc43)ccc2C1=O.
What is the InChIKey of 2-(2-ethoxyethyl)-5-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-3H-isoindol-1-one?
The InChIKey is MASZLKUAHHEKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3/c1-2-33-14-13-29-18-21-16-22(8-9-23(21)26(29)32)30-12-6-7-19-15-20(17-27-24(19)30)25(31)28-10-4-3-5-11-28/h8-9,15-17H,2-7,10-14,18H2,1H3.
What are the key properties of 2-(2-ethoxyethyl)-5-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-3H-isoindol-1-one?
2-(2-ethoxyethyl)-5-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-3H-isoindol-1-one has a molecular weight of 448.57 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethyl)-5-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-3H-isoindol-1-one is sourced from PubChem (CID 154994948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).